3-[2-methyl-6-(pyridazin-3-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine

C18H15N11 — CID 62706653

IUPAC3-[2-methyl-6-(pyridazin-3-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine
SMILESCc1nc(Nc2cccnn2)cc(-c2c(Nc3ccn[nH]3)nc3cccnn23)n1
InChIInChI=1S/C18H15N11/c1-11-22-12(10-15(23-11)24-13-4-2-7-19-27-13)17-18(25-14-6-9-20-28-14)26-16-5-3-8-21-29(16)17/h2-10H,1H3,(H2,20,25,28)(H,22,23,24,27)
InChIKeyRHLKAAGLEWHOFV-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.50
Rot. Bonds5

About 3-[2-methyl-6-(pyridazin-3-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine

3-[2-methyl-6-(pyridazin-3-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine (PubChem CID 62706653) has the molecular formula C18H15N11 and a molecular weight of 385.40 g/mol. Its IUPAC name is 3-[2-methyl-6-(pyridazin-3-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine.

Molecular Properties

Compound Name3-[2-methyl-6-(pyridazin-3-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine
PubChem CID62706653
Molecular FormulaC18H15N11
Molecular Weight385.40 g/mol
Exact Mass385.15
IUPAC Name3-[2-methyl-6-(pyridazin-3-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine
SMILESCc1nc(Nc2cccnn2)cc(-c2c(Nc3ccn[nH]3)nc3cccnn23)n1
InChIInChI=1S/C18H15N11/c1-11-22-12(10-15(23-11)24-13-4-2-7-19-27-13)17-18(25-14-6-9-20-28-14)26-16-5-3-8-21-29(16)17/h2-10H,1H3,(H2,20,25,28)(H,22,23,24,27)
InChIKeyRHLKAAGLEWHOFV-UHFFFAOYSA-N
XLogP2.50
TPSA134.49 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

2-(1H-Pyrazol-5-yl)-1H-1,3-benzodiazole
CID 763936
1-(4-Amino-6-Methyl-1,3,5-Triazin-2-Yl)-N-(1h-Pyrazol-3-Yl)-1h-Benzimidazol-2-Amine
CID 46892845
3-(4-Amino-6-Methyl-1,3,5-Triazin-2-Yl)-N-(1h-Pyrazol-5-Yl)imidazo[1,2-A]pyridin-2-Amine
CID 49835055
3-[2-Methyl-6-(Pyrazin-2-Ylamino)pyrimidin-4-Yl]-N-(1h-Pyrazol-3-Yl)imidazo[1,2-B]pyridazin-2-Amine
CID 62706651
N~4~-(5-Cyclopropyl-1h-Pyrazol-3-Yl)-N~2~-[(1s)-1-(1h-Pyrrolo[3,2-B]pyridin-5-Yl)ethyl]pyrimidine-2,4-Diamine
CID 71611421
N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-2-(1h-Pyrazol-4-Yl)-3h-Imidazo[4,5-C]pyridin-6-Amine
CID 86278568
2-(1h-Pyrazol-4-Yl)-7-(Pyridin-3-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90104994
7-(1-Propyl-1h-Pyrazol-4-Yl)-2-(Pyridin-4-Yl)-5h-Pyrrolo[2,3-B]pyrazine
CID 90106032
3-(5-Cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-5-amine
CID 25115964
US10336761, Example 57
CID 135262410
Ipivivint
CID 136213660
Plk4-IN-4
CID 168279678

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-(pyridazin-3-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine?
The IUPAC name of 3-[2-methyl-6-(pyridazin-3-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine (CID 62706653) is 3-[2-methyl-6-(pyridazin-3-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine.
What is the SMILES notation for 3-[2-methyl-6-(pyridazin-3-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine?
The canonical SMILES for 3-[2-methyl-6-(pyridazin-3-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine is Cc1nc(Nc2cccnn2)cc(-c2c(Nc3ccn[nH]3)nc3cccnn23)n1.
What is the InChIKey of 3-[2-methyl-6-(pyridazin-3-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine?
The InChIKey is RHLKAAGLEWHOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N11/c1-11-22-12(10-15(23-11)24-13-4-2-7-19-27-13)17-18(25-14-6-9-20-28-14)26-16-5-3-8-21-29(16)17/h2-10H,1H3,(H2,20,25,28)(H,22,23,24,27).
What are the key properties of 3-[2-methyl-6-(pyridazin-3-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine?
3-[2-methyl-6-(pyridazin-3-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine has a molecular weight of 385.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-(pyridazin-3-ylamino)pyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine is sourced from PubChem (CID 62706653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).